1-propan-2-yl-2-tritylbenzene

C28H26 — CID 168730792

IUPAC1-propan-2-yl-2-tritylbenzene
SMILESCC(C)c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26/c1-22(2)26-20-12-13-21-27(26)28(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-22H,1-2H3
InChIKeyOJTUVACFEJHTCU-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.19
Rot. Bonds5

About 1-propan-2-yl-2-tritylbenzene

1-propan-2-yl-2-tritylbenzene (PubChem CID 168730792) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-propan-2-yl-2-tritylbenzene.

Molecular Properties

Compound Name1-propan-2-yl-2-tritylbenzene
PubChem CID168730792
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name1-propan-2-yl-2-tritylbenzene
SMILESCC(C)c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26/c1-22(2)26-20-12-13-21-27(26)28(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-22H,1-2H3
InChIKeyOJTUVACFEJHTCU-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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3-tritylbenzene-1,2-diol
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1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
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1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene
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1-tert-butyl-2,3-di(propan-2-yl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-tritylbenzene?
The IUPAC name of 1-propan-2-yl-2-tritylbenzene (CID 168730792) is 1-propan-2-yl-2-tritylbenzene.
What is the SMILES notation for 1-propan-2-yl-2-tritylbenzene?
The canonical SMILES for 1-propan-2-yl-2-tritylbenzene is CC(C)c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-propan-2-yl-2-tritylbenzene?
The InChIKey is OJTUVACFEJHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-22(2)26-20-12-13-21-27(26)28(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-22H,1-2H3.
What are the key properties of 1-propan-2-yl-2-tritylbenzene?
1-propan-2-yl-2-tritylbenzene has a molecular weight of 362.52 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-tritylbenzene is sourced from PubChem (CID 168730792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).